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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 596.0
BDBM639532

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM639532
PNG
(US20230391781, Compound 8.3)
Show SMILES CO[C@@H](C)c1c(Nc2ccc(cc2)[C@H](N(C)C(=O)[C@H]2CC[C@@H](CC2)C(=O)N(C)C)C(F)(F)F)cnc2nc(Cl)nn12 |r,wU:2.2,21.25,wD:13.14,18.18,(-1.85,-5.64,;-3.18,-6.41,;-4.52,-5.64,;-5.85,-6.41,;-4.52,-4.1,;-3.18,-3.33,;-1.85,-4.1,;-.52,-3.33,;-.52,-1.79,;.82,-1.02,;2.15,-1.79,;2.15,-3.33,;.82,-4.1,;3.49,-1.02,;3.49,.52,;4.82,1.29,;2.15,1.29,;.82,.52,;2.15,2.83,;3.49,3.6,;3.49,5.14,;2.15,5.91,;.82,5.14,;.82,3.6,;2.15,7.45,;.82,8.22,;3.49,8.22,;3.49,9.76,;4.82,7.45,;4.82,-1.79,;6.15,-2.56,;5.59,-.45,;4.05,-3.12,;-3.18,-1.79,;-4.52,-1.02,;-5.85,-1.79,;-7.32,-1.31,;-8.22,-2.56,;-9.76,-2.56,;-7.32,-3.8,;-5.85,-3.33,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 550n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair